1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one

C7H9F3N2O — CID 116624537

IUPAC1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
SMILESCn1ccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C7H9F3N2O/c1-11-4-5-12(6(11)13)3-2-7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyKPEMFCFFNHEFKJ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.14
Rot. Bonds2

About 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one

1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one (PubChem CID 116624537) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
PubChem CID116624537
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
SMILESCn1ccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C7H9F3N2O/c1-11-4-5-12(6(11)13)3-2-7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyKPEMFCFFNHEFKJ-UHFFFAOYSA-N
XLogP1.14
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-3-methyl-1H-imidazol-2(3H)-one
CID 45088397
3-(Difluoromethyl)-1,4-dimethylimidazol-2-one
CID 21306280
1-propyl-3-(trifluoromethyl)-2H-imidazole
CID 66669556
1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole
CID 86219088
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
1,3-Dibutyl-4-fluoroimidazol-2-one
CID 151172496
2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
CID 162583401
1-Tert-butyl-3-(difluoromethyl)imidazol-2-one
CID 167333407
Trifluoro-[(2-oxo-3-propylimidazol-1-yl)methyl]boranuide
CID 80582844
3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
CID 103124913
3-(3,3,3-trifluoropropyl)-1H-imidazol-2-one
CID 103125619
2-[(3-Ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368176

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
The IUPAC name of 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one (CID 116624537) is 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one.
What is the SMILES notation for 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
The canonical SMILES for 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one is Cn1ccn(CCC(F)(F)F)c1=O.
What is the InChIKey of 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
The InChIKey is KPEMFCFFNHEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-11-4-5-12(6(11)13)3-2-7(8,9)10/h4-5H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one has a molecular weight of 194.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,3-trifluoropropyl)imidazol-2-one is sourced from PubChem (CID 116624537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).